8,8-bis(4-fluorophenyl)-4-phenyloctane-1,5-diamine

C26H30F2N2 — CID 57235740

IUPAC8,8-bis(4-fluorophenyl)-4-phenyloctane-1,5-diamine
SMILESNCCCC(c1ccccc1)C(N)CCC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C26H30F2N2/c27-22-12-8-20(9-13-22)24(21-10-14-23(28)15-11-21)16-17-26(30)25(7-4-18-29)19-5-2-1-3-6-19/h1-3,5-6,8-15,24-26H,4,7,16-18,29-30H2
InChIKeyNFQNHMMYCQFQGB-UHFFFAOYSA-N
MW408.54 g/mol
LogP5.73
Rot. Bonds10

About 8,8-bis(4-fluorophenyl)-4-phenyloctane-1,5-diamine

8,8-bis(4-fluorophenyl)-4-phenyloctane-1,5-diamine (PubChem CID 57235740) has the molecular formula C26H30F2N2 and a molecular weight of 408.54 g/mol. Its IUPAC name is 8,8-bis(4-fluorophenyl)-4-phenyloctane-1,5-diamine.

Molecular Properties

Compound Name8,8-bis(4-fluorophenyl)-4-phenyloctane-1,5-diamine
PubChem CID57235740
Molecular FormulaC26H30F2N2
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC Name8,8-bis(4-fluorophenyl)-4-phenyloctane-1,5-diamine
SMILESNCCCC(c1ccccc1)C(N)CCC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C26H30F2N2/c27-22-12-8-20(9-13-22)24(21-10-14-23(28)15-11-21)16-17-26(30)25(7-4-18-29)19-5-2-1-3-6-19/h1-3,5-6,8-15,24-26H,4,7,16-18,29-30H2
InChIKeyNFQNHMMYCQFQGB-UHFFFAOYSA-N
XLogP5.73
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.54
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 8,8-bis(4-fluorophenyl)-4-phenyloctane-1,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8,8-bis(4-fluorophenyl)-4-phenyloctane-1,5-diamine?
The IUPAC name of 8,8-bis(4-fluorophenyl)-4-phenyloctane-1,5-diamine (CID 57235740) is 8,8-bis(4-fluorophenyl)-4-phenyloctane-1,5-diamine.
What is the SMILES notation for 8,8-bis(4-fluorophenyl)-4-phenyloctane-1,5-diamine?
The canonical SMILES for 8,8-bis(4-fluorophenyl)-4-phenyloctane-1,5-diamine is NCCCC(c1ccccc1)C(N)CCC(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 8,8-bis(4-fluorophenyl)-4-phenyloctane-1,5-diamine?
The InChIKey is NFQNHMMYCQFQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F2N2/c27-22-12-8-20(9-13-22)24(21-10-14-23(28)15-11-21)16-17-26(30)25(7-4-18-29)19-5-2-1-3-6-19/h1-3,5-6,8-15,24-26H,4,7,16-18,29-30H2.
What are the key properties of 8,8-bis(4-fluorophenyl)-4-phenyloctane-1,5-diamine?
8,8-bis(4-fluorophenyl)-4-phenyloctane-1,5-diamine has a molecular weight of 408.54 g/mol, XLogP of 5.73, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-bis(4-fluorophenyl)-4-phenyloctane-1,5-diamine is sourced from PubChem (CID 57235740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).